N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C16H19ClN6O2S — CID 170721717

IUPACN-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2[nH]c(C(=O)Nc3cn(C)nc3Cl)c(CN3CCOCC3)c2s1
InChIInChI=1S/C16H19ClN6O2S/c1-9-18-15-13(26-9)10(7-23-3-5-25-6-4-23)12(20-15)16(24)19-11-8-22(2)21-14(11)17/h8,20H,3-7H2,1-2H3,(H,19,24)
InChIKeyCTPIEBOIZXKKBX-UHFFFAOYSA-N
MW394.89 g/mol
LogP2.40
Rot. Bonds4

About N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 170721717) has the molecular formula C16H19ClN6O2S and a molecular weight of 394.89 g/mol. Its IUPAC name is N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID170721717
Molecular FormulaC16H19ClN6O2S
Molecular Weight394.89 g/mol
Exact Mass394.10
IUPAC NameN-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2[nH]c(C(=O)Nc3cn(C)nc3Cl)c(CN3CCOCC3)c2s1
InChIInChI=1S/C16H19ClN6O2S/c1-9-18-15-13(26-9)10(7-23-3-5-25-6-4-23)12(20-15)16(24)19-11-8-22(2)21-14(11)17/h8,20H,3-7H2,1-2H3,(H,19,24)
InChIKeyCTPIEBOIZXKKBX-UHFFFAOYSA-N
XLogP2.40
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721645
N-(2-chlorophenyl)-6-[(4-hydroxypiperidin-1-yl)methyl]-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721628
N-[(3Z)-4-cyanohexa-3,5-dien-3-yl]-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721739
N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 174298533
N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139818
2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721646
N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139807
N-(4-cyano-3-pyridinyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721784
2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721743
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1338962
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 170721717) is N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2[nH]c(C(=O)Nc3cn(C)nc3Cl)c(CN3CCOCC3)c2s1.
What is the InChIKey of N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is CTPIEBOIZXKKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O2S/c1-9-18-15-13(26-9)10(7-23-3-5-25-6-4-23)12(20-15)16(24)19-11-8-22(2)21-14(11)17/h8,20H,3-7H2,1-2H3,(H,19,24).
What are the key properties of N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 394.89 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 170721717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).