2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

C14H16N4O2S — CID 135106889

IUPAC2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cs1
InChIInChI=1S/C14H16N4O2S/c15-14-18-12(8-21-14)13(19)17-11-7-20-6-10(11)5-9-1-3-16-4-2-9/h1-4,8,10-11H,5-7H2,(H2,15,18)(H,17,19)/t10-,11-/m1/s1
InChIKeyVLIKTSHPTBMOBR-GHMZBOCLSA-N
MW304.38 g/mol
LogP1.11
Rot. Bonds4

About 2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 135106889) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID135106889
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cs1
InChIInChI=1S/C14H16N4O2S/c15-14-18-12(8-21-14)13(19)17-11-7-20-6-10(11)5-9-1-3-16-4-2-9/h1-4,8,10-11H,5-7H2,(H2,15,18)(H,17,19)/t10-,11-/m1/s1
InChIKeyVLIKTSHPTBMOBR-GHMZBOCLSA-N
XLogP1.11
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide (CID 135106889) is 2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cs1.
What is the InChIKey of 2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VLIKTSHPTBMOBR-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-14-18-12(8-21-14)13(19)17-11-7-20-6-10(11)5-9-1-3-16-4-2-9/h1-4,8,10-11H,5-7H2,(H2,15,18)(H,17,19)/t10-,11-/m1/s1.
What are the key properties of 2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 135106889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).