4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine

C15H22N4S2 — CID 63916975

IUPAC4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)NCc1sc(N(C)Cc2cscn2)nc1C1CC1
InChIInChI=1S/C15H22N4S2/c1-10(2)16-6-13-14(11-4-5-11)18-15(21-13)19(3)7-12-8-20-9-17-12/h8-11,16H,4-7H2,1-3H3
InChIKeyMSNOGVQTAIACBH-UHFFFAOYSA-N
MW322.50 g/mol
LogP3.61
Rot. Bonds7

About 4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine

4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 63916975) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID63916975
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC Name4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)NCc1sc(N(C)Cc2cscn2)nc1C1CC1
InChIInChI=1S/C15H22N4S2/c1-10(2)16-6-13-14(11-4-5-11)18-15(21-13)19(3)7-12-8-20-9-17-12/h8-11,16H,4-7H2,1-3H3
InChIKeyMSNOGVQTAIACBH-UHFFFAOYSA-N
XLogP3.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63917430
N-cyclopentyl-4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63917340
4-cyclopropyl-N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63916185
4-cyclopropyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115987992
7-N-ethyl-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754763
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 63917628
2-N-methyl-7-N-propyl-2-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62754764
2-[methyl(1,3-thiazol-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392979
4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63915656
4-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917550
2-cyclopropyl-4-N,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80982901
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine
CID 62767681

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine (CID 63916975) is 4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine is CC(C)NCc1sc(N(C)Cc2cscn2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is MSNOGVQTAIACBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-10(2)16-6-13-14(11-4-5-11)18-15(21-13)19(3)7-12-8-20-9-17-12/h8-11,16H,4-7H2,1-3H3.
What are the key properties of 4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine?
4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 322.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63916975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).