N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C13H18N4OS — CID 20889826

IUPACN-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCCN(C)C
InChIInChI=1S/C13H18N4OS/c1-10-11(12(18)14-6-9-16(2)3)19-13(15-10)17-7-4-5-8-17/h4-5,7-8H,6,9H2,1-3H3,(H,14,18)
InChIKeyNNKKVXCCGLYCSI-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.53
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 20889826) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID20889826
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCCN(C)C
InChIInChI=1S/C13H18N4OS/c1-10-11(12(18)14-6-9-16(2)3)19-13(15-10)17-7-4-5-8-17/h4-5,7-8H,6,9H2,1-3H3,(H,14,18)
InChIKeyNNKKVXCCGLYCSI-UHFFFAOYSA-N
XLogP1.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-pyrrol-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 118733042
2-(1H-pyrrol-1-yl)-N-(2,2,2-trifluoroethyl)thiazole-4-carboxamide
CID 49717626
ethyl 4-({[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3237876
N-(2-methylpropyl)-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]acetamide
CID 29127775
N-(3-methylbutyl)-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]acetamide
CID 29134018
N-(propan-2-yl)-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-5-yl]acetamide
CID 29139403
4-methyl-N-(2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)-2-(1H-pyrrol-1-yl)thiazole-5-carboxamide
CID 71793222
4-methyl-2-(1H-pyrrol-1-yl)-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)thiazole-5-carboxamide
CID 91631381
2-(2-(1H-pyrrol-1-yl)thiazol-4-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)ethanone
CID 44088118
N-(5-(dimethylcarbamoyl)-4-methylthiazol-2-yl)-2-(1H-pyrrol-1-yl)thiazole-4-carboxamide
CID 45505179
N-(2-(6-oxopyridazin-1(6H)-yl)ethyl)-2-(1H-pyrrol-1-yl)thiazole-4-carboxamide
CID 45505187
tert-butyl (1-(4-methyl-2-(1H-pyrrol-1-yl)thiazole-5-carbonyl)piperidin-4-yl)carbamate
CID 49661260

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 20889826) is N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is NNKKVXCCGLYCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-10-11(12(18)14-6-9-16(2)3)19-13(15-10)17-7-4-5-8-17/h4-5,7-8H,6,9H2,1-3H3,(H,14,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20889826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).