N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide

C10H15N3O2S — CID 65199177

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)[C@@H]2CNC[C@H]2O)cs1
InChIInChI=1S/C10H15N3O2S/c1-6-12-7(5-16-6)10(15)13(2)8-3-11-4-9(8)14/h5,8-9,11,14H,3-4H2,1-2H3/t8-,9-/m1/s1
InChIKeyVTMTUFRODGIRHC-RKDXNWHRSA-N
MW241.32 g/mol
LogP-0.14
Rot. Bonds2

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 65199177) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID65199177
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)[C@@H]2CNC[C@H]2O)cs1
InChIInChI=1S/C10H15N3O2S/c1-6-12-7(5-16-6)10(15)13(2)8-3-11-4-9(8)14/h5,8-9,11,14H,3-4H2,1-2H3/t8-,9-/m1/s1
InChIKeyVTMTUFRODGIRHC-RKDXNWHRSA-N
XLogP-0.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide (CID 65199177) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(C)[C@@H]2CNC[C@H]2O)cs1.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is VTMTUFRODGIRHC-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-12-7(5-16-6)10(15)13(2)8-3-11-4-9(8)14/h5,8-9,11,14H,3-4H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 241.32 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,2-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65199177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).