3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C14H24N4OS — CID 103380759

IUPAC3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(CC1CC1)C(C)C
InChIInChI=1S/C14H24N4OS/c1-8(2)16-13(19)11-12(15)17-20-14(11)18(9(3)4)7-10-5-6-10/h8-10H,5-7H2,1-4H3,(H2,15,17)(H,16,19)
InChIKeyAKEVRGXUMCEEPB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.49
Rot. Bonds6

About 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103380759) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103380759
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1N(CC1CC1)C(C)C
InChIInChI=1S/C14H24N4OS/c1-8(2)16-13(19)11-12(15)17-20-14(11)18(9(3)4)7-10-5-6-10/h8-10H,5-7H2,1-4H3,(H2,15,17)(H,16,19)
InChIKeyAKEVRGXUMCEEPB-UHFFFAOYSA-N
XLogP2.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103380759) is 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1N(CC1CC1)C(C)C.
What is the InChIKey of 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is AKEVRGXUMCEEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-8(2)16-13(19)11-12(15)17-20-14(11)18(9(3)4)7-10-5-6-10/h8-10H,5-7H2,1-4H3,(H2,15,17)(H,16,19).
What are the key properties of 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).