N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide

C17H25N5OS — CID 71928655

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide
SMILESCCn1ncc2c1CCCC2NC(C)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C17H25N5OS/c1-5-22-15-8-6-7-14(13(15)9-18-22)19-11(3)16(23)21-17-20-10(2)12(4)24-17/h9,11,14,19H,5-8H2,1-4H3,(H,20,21,23)
InChIKeyQRQQTCVCKSAOQV-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.97
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide (PubChem CID 71928655) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide
PubChem CID71928655
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide
SMILESCCn1ncc2c1CCCC2NC(C)C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C17H25N5OS/c1-5-22-15-8-6-7-14(13(15)9-18-22)19-11(3)16(23)21-17-20-10(2)12(4)24-17/h9,11,14,19H,5-8H2,1-4H3,(H,20,21,23)
InChIKeyQRQQTCVCKSAOQV-UHFFFAOYSA-N
XLogP2.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 72153908
2-(4-Acetylpiperazin-1-YL)-N-[(3-methyl-1-propyl-1H-pyrazol-4-YL)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 53188188
(2S)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 95761897
N-cyclopropyl-N-[4-[[[(4S)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 164633740
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methyl-4-piperidin-4-ylpyrazol-1-yl)acetamide
CID 177662463
2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 46980855
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 146138412
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 155944261
3-(4-Ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-methyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]urea
CID 167904970
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 894344
2-(N-Cyclohexylmethanesulfonamido)-N-{6-methyl-4H,5H-[1,3]thiazolo[4,5-E]indazol-2-YL}acetamide
CID 16673135
N-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 53499521

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide (CID 71928655) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide is CCn1ncc2c1CCCC2NC(C)C(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide?
The InChIKey is QRQQTCVCKSAOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-5-22-15-8-6-7-14(13(15)9-18-22)19-11(3)16(23)21-17-20-10(2)12(4)24-17/h9,11,14,19H,5-8H2,1-4H3,(H,20,21,23).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide has a molecular weight of 347.49 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propanamide is sourced from PubChem (CID 71928655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).