2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide

C14H18N6O2S — CID 67077304

IUPAC2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2cn[nH]c2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C14H18N6O2S/c15-14(22)20-13-10(4-11(23-13)8-5-17-18-6-8)12(21)19-9-2-1-3-16-7-9/h4-6,9,16H,1-3,7H2,(H,17,18)(H,19,21)(H3,15,20,22)/t9-/m0/s1
InChIKeyASJMPQBNMYLYIP-VIFPVBQESA-N
MW334.41 g/mol
LogP1.11
Rot. Bonds4

About 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide

2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide (PubChem CID 67077304) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide
PubChem CID67077304
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2cn[nH]c2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C14H18N6O2S/c15-14(22)20-13-10(4-11(23-13)8-5-17-18-6-8)12(21)19-9-2-1-3-16-7-9/h4-6,9,16H,1-3,7H2,(H,17,18)(H,19,21)(H3,15,20,22)/t9-/m0/s1
InChIKeyASJMPQBNMYLYIP-VIFPVBQESA-N
XLogP1.11
TPSA124.93 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
2-(carbamoylamino)-5-(3-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 44560523
5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077870
2-(carbamoylamino)-5-[4-(cyanomethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077917
2-(carbamoylamino)-5-[4-fluoro-3-(hydroxymethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077447
2-(carbamoylamino)-5-(2,4-dichlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077105
N-[(3S)-azepan-3-yl]-2-(carbamoylamino)-5-(2-methoxyphenyl)thiophene-3-carboxamide
CID 174506555
N-[(3S)-piperidin-3-yl]-2-(pyrazin-2-ylcarbamoylamino)-5-pyrimidin-5-ylthiophene-3-carboxamide
CID 67077781
2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077942
2-(carbamoylamino)-5-[4-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68959548
2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077654

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide (CID 67077304) is 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide is NC(=O)Nc1sc(-c2cn[nH]c2)cc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide?
The InChIKey is ASJMPQBNMYLYIP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N6O2S/c15-14(22)20-13-10(4-11(23-13)8-5-17-18-6-8)12(21)19-9-2-1-3-16-7-9/h4-6,9,16H,1-3,7H2,(H,17,18)(H,19,21)(H3,15,20,22)/t9-/m0/s1.
What are the key properties of 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide?
2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 1.11, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 67077304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).