N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C20H31N5OS — CID 110092646

IUPACN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)CC1CCC(c2cc(CN(C)C)n(C)n2)CC1
InChIInChI=1S/C20H31N5OS/c1-14-19(27-13-21-14)20(26)24(4)11-15-6-8-16(9-7-15)18-10-17(12-23(2)3)25(5)22-18/h10,13,15-16H,6-9,11-12H2,1-5H3
InChIKeyDHWXCGRFJPYRGD-UHFFFAOYSA-N
MW389.57 g/mol
LogP3.29
Rot. Bonds6

About N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 110092646) has the molecular formula C20H31N5OS and a molecular weight of 389.57 g/mol. Its IUPAC name is N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID110092646
Molecular FormulaC20H31N5OS
Molecular Weight389.57 g/mol
Exact Mass389.22
IUPAC NameN-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)CC1CCC(c2cc(CN(C)C)n(C)n2)CC1
InChIInChI=1S/C20H31N5OS/c1-14-19(27-13-21-14)20(26)24(4)11-15-6-8-16(9-7-15)18-10-17(12-23(2)3)25(5)22-18/h10,13,15-16H,6-9,11-12H2,1-5H3
InChIKeyDHWXCGRFJPYRGD-UHFFFAOYSA-N
XLogP3.29
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 110092646) is N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)CC1CCC(c2cc(CN(C)C)n(C)n2)CC1.
What is the InChIKey of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is DHWXCGRFJPYRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5OS/c1-14-19(27-13-21-14)20(26)24(4)11-15-6-8-16(9-7-15)18-10-17(12-23(2)3)25(5)22-18/h10,13,15-16H,6-9,11-12H2,1-5H3.
What are the key properties of N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 389.57 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]cyclohexyl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110092646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).