4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide

C10H17N5OS — CID 45107290

IUPAC4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)N[C@H]2CCCNC2)s1
InChIInChI=1S/C10H17N5OS/c1-12-10-15-8(11)7(17-10)9(16)14-6-3-2-4-13-5-6/h6,13H,2-5,11H2,1H3,(H,12,15)(H,14,16)/t6-/m0/s1
InChIKeyLMRFLWXIHDREJR-LURJTMIESA-N
MW255.35 g/mol
LogP0.25
Rot. Bonds3

About 4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide

4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 45107290) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID45107290
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)N[C@H]2CCCNC2)s1
InChIInChI=1S/C10H17N5OS/c1-12-10-15-8(11)7(17-10)9(16)14-6-3-2-4-13-5-6/h6,13H,2-5,11H2,1H3,(H,12,15)(H,14,16)/t6-/m0/s1
InChIKeyLMRFLWXIHDREJR-LURJTMIESA-N
XLogP0.25
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 45107290) is 4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)N[C@H]2CCCNC2)s1.
What is the InChIKey of 4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LMRFLWXIHDREJR-LURJTMIESA-N. The full InChI is InChI=1S/C10H17N5OS/c1-12-10-15-8(11)7(17-10)9(16)14-6-3-2-4-13-5-6/h6,13H,2-5,11H2,1H3,(H,12,15)(H,14,16)/t6-/m0/s1.
What are the key properties of 4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 255.35 g/mol, XLogP of 0.25, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45107290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).